2-ethyl-4-(4-fluorophenoxy)pyrrolidine

C12H16FNO — CID 126675882

IUPAC2-ethyl-4-(4-fluorophenoxy)pyrrolidine
SMILESCCC1CC(Oc2ccc(F)cc2)CN1
InChIInChI=1S/C12H16FNO/c1-2-10-7-12(8-14-10)15-11-5-3-9(13)4-6-11/h3-6,10,12,14H,2,7-8H2,1H3
InChIKeyDNHKBRNLYSLPRI-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.35
Rot. Bonds3

About 2-ethyl-4-(4-fluorophenoxy)pyrrolidine

2-ethyl-4-(4-fluorophenoxy)pyrrolidine (PubChem CID 126675882) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 2-ethyl-4-(4-fluorophenoxy)pyrrolidine.

Molecular Properties

Compound Name2-ethyl-4-(4-fluorophenoxy)pyrrolidine
PubChem CID126675882
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name2-ethyl-4-(4-fluorophenoxy)pyrrolidine
SMILESCCC1CC(Oc2ccc(F)cc2)CN1
InChIInChI=1S/C12H16FNO/c1-2-10-7-12(8-14-10)15-11-5-3-9(13)4-6-11/h3-6,10,12,14H,2,7-8H2,1H3
InChIKeyDNHKBRNLYSLPRI-UHFFFAOYSA-N
XLogP2.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-4-(4-fluorophenoxy)pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R,4R)-4-(4-fluorophenoxy)piperidin-2-yl]methanol
CID 66961888
1-ethyl-3-(4-fluorophenoxy)azetidine
CID 89379644
(2S,4S)-2-(difluoromethoxymethyl)-4-[4-(trifluoromethyl)phenoxy]pyrrolidine
CID 156773922
1-fluoro-4-(4-methylidene-3-propylcyclohexyl)oxybenzene
CID 91340381
ethyl 3-[(2R,4S)-4-(3,4-difluorophenoxy)pyrrolidin-2-yl]propanoate
CID 167228891
(3S)-3-(4-fluorophenoxy)pyrrolidine
CID 26192125
(2S,4S)-4-butoxy-2-ethylpyrrolidine
CID 99994451
1-ethylsulfonyl-4-(4-fluorophenoxy)piperidine
CID 110396981
[3-(4-fluorophenoxy)cyclobutyl]carbamic acid
CID 166790359
(2R,4S)-2-methyl-4-phenoxypyrrolidine
CID 90167785
2-methyl-4-phenoxypyrrolidine
CID 90167586
N,2,2-triethyl-3-(4-fluorophenoxy)cyclobutan-1-amine
CID 66358535

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(4-fluorophenoxy)pyrrolidine?
The IUPAC name of 2-ethyl-4-(4-fluorophenoxy)pyrrolidine (CID 126675882) is 2-ethyl-4-(4-fluorophenoxy)pyrrolidine.
What is the SMILES notation for 2-ethyl-4-(4-fluorophenoxy)pyrrolidine?
The canonical SMILES for 2-ethyl-4-(4-fluorophenoxy)pyrrolidine is CCC1CC(Oc2ccc(F)cc2)CN1.
What is the InChIKey of 2-ethyl-4-(4-fluorophenoxy)pyrrolidine?
The InChIKey is DNHKBRNLYSLPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-2-10-7-12(8-14-10)15-11-5-3-9(13)4-6-11/h3-6,10,12,14H,2,7-8H2,1H3.
What are the key properties of 2-ethyl-4-(4-fluorophenoxy)pyrrolidine?
2-ethyl-4-(4-fluorophenoxy)pyrrolidine has a molecular weight of 209.26 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(4-fluorophenoxy)pyrrolidine is sourced from PubChem (CID 126675882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).